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Piperlongumine

CAT: 0572-TRC-P482850-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P482850-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20069-09-4
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC
Molecular Formula
C17 H19 N O5
Molecular Weight
317.34
InChI
InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
Additionnal Information
IUPAC name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Piperlongumine

Piplartine is a member of cinnamamides and a dicarboximide.

CAS Number20069-09-4
PubChem CID637858
IUPAC Name1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
Molecular FormulaC17H19NO5
Molecular Weight317.34
XLogP2.1
Topological Polar Surface Area65.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity473
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)N2CCC=CC2=O
InChI
InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+
InChIKey
VABYUUZNAVQNPG-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of Piperlongumine
CAS: 20069-09-4
CID: 637858
Formula: C17H19NO5
MW: 317.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.34
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass317.12632271
Monoisotopic Mass317.12632271
Topological Polar Surface Area65.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity473
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A4455-5.1Piperlongumine

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